Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24394635 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7990725 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7990842 | 0.81 | CES2 (0.48) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7987811 | 0.81 | CES2 (0.48) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL7988139 | 0.81 | CES2 (0.48) | ALDH1A1CES2CES1LMNATDP1 | |
| SCHEMBL6316323 | 0.80 | CES2 (0.44) | ALDH1A1CES2CES1TDP1NPSR1 | |
| SCHEMBL7973288 | 0.78 | LMNA (0.47) | ALDH1A1LMNASMN1; SMN2HTTHPGD | |
| SCHEMBL7985090 | 0.78 | CES2 (0.55) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL24394643 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7990828 | 0.78 | HDAC1 (0.50) | ALDH1A1LMNAHTTNPSR1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |